If fusion energy is to achieve its full potential for safety and environmental (S&E) advantages, the S&E characteristics of fusion power plant designs must be quantified and understood, and the resulting insights must be embodied in the ongoing process of development of fusion energy. As part of this task, the present work compares S&E characteristics of five inertial and two magnetic fusion power plant designs. For each design, a set of radiological hazard indices has been calculated with a system of computer codes and data libraries assembled for this purpose. These indices quantify the radiological hazards associated with the operation of fusion power plants with respect to three classes of hazard: accidents, occupational exposure, and waste disposal. The three classes of hazard have been qualitatively integrated to rank the best and worst fusion power plant designs with respect to S&E characteristics. From these rankings, the specific designs, and other S&E trends, design features that result in S&E advantages have been identified. Additionally, key areas for future fusion research have been identified. Specific experiments needed include the investigation of elemental release rates (expanded to include many more materials) and the verification of sequential charged-particle reactions. Improvements to the calculational methodology are …

Supernova (SN) 1987A focused attention on the critical role of hydrodynamic instabilities in the evolution of supernovae. To test the modeling of these instabilities, we are developing laboratory experiments of hydrodynamic mixing under conditions relevant to supernovae. Initial results were reported in J. Kane et al., Astrophys. J.478, L75 (1997) The Nova laser is used to shock two-layer targets, producing Richtmyer-Meshkov (RM) and Rayleigh-Taylor (RT) instabilities at the interfaces between the layers, analogous to instabilities seen at the interfaces of SN 1987A. Because the hydrodynamics in the laser experiments at intermediate times (3-40 ns) and in SN 1987A at intermediate times (5 s-10{sup 4} s) are well described by the Euler equations, the hydrodynamics scale between the two regimes. The experiments are modeled using the hydrodynamics codes HYADES and CALE, and the supernova code PROMETHEUS, thus serving as a benchmark for PROMETHEUS. Results of the experiments and simulations are presented. Analysis of the spike and bubble velocities in the experiment using potential flow theory and a modified Ott thin shell theory is presented. A numerical study of 2D vs. 3D differences in instability growth at the O-He and He-H interface of SN 1987A, and the design for analogous laser experiments …

The objective of this study was to evaluate the effectiveness of two unsaturated flow models in arid regions. The area selected for the study was the Area 5 Radioactive Waste Management Site (RWMS) at the Nevada Test Site in Nye County, Nevada. The two models selected for this evaluation were HYDRUS-1D [Simunek et al., 1998] and the SHAW model [Flerchinger and Saxton, 1989]. Approximately 5 years of soil-water and atmospheric data collected from an instrumented weighing lysimeter site near the RWMS were used for building the models with actual initial and boundary conditions representative of the site. Physical processes affecting the site and model performance were explored. Model performance was based on a detailed sensitivity analysis and ultimately on storage comparisons. During the process of developing descriptive model input, procedures for converting hydraulic parameters for each model were explored. In addition, the compilation of atmospheric data collected at the site became a useful tool for developing predictive functions for future studies. The final model results were used to evaluate the capacities of the HYDRUS and SHAW models for predicting soil-moisture movement and variable surface phenomena for bare soil conditions in the arid vadose zone. The development of calibrated models along …

Conventional solid state reactions are diffusion limited processes that require high temperatures and long reaction times to reach completion. In this work, several solution based methods were utilized to circumvent this diffusion limited reaction and achieve product formation at lower temperatures. The solution methods studied all have the common goal of trapping the homogeneity inherent in a solution and transferring this homogeneity to the solid state, thereby creating a solid atomic mixture of reactants. These atomic mixtures can yield solid state products through {open_quotes}diffusionless{close_quotes} mechanisms. The effectiveness of atomic mixtures in solid state synthesis was tested on three classes of materials, varying in complexity. A procedure was invented for obtaining the highly water soluble salt, titanyl nitrate, TiO(NO{sub 3}){sub 2}, in crystalline form, which allowed the production of titanate materials by freeze drying. The freeze drying procedures yielded phase pure, nanocrystalline BaTiO{sub 3} and the complete SYNROC-B phase assemblage after ten minute heat treatments at 600{degrees}C and 1100{degrees}C, respectively. Two novel methods were developed for the solution based synthesis of Ba{sub 2}YCu{sub 3}O{sub 7-x} and Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}. Thin and thick films of Ba{sub 2}YCu{sub 3}O{sub 7-x} and Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10} were synthesized by …

Conventional solid state reactions are diffusion limited processes that require high temperatures and long reaction times to reach completion. In this work, several solution based methods were utilized to circumvent this diffusion limited reaction and achieve product formation at lower temperatures. The solution methods studied all have the common goal of trapping the homogeneity inherent in a solution and transferring this homogeneity to the solid state, thereby creating a solid atomic mixture of reactants. These atomic mixtures can yield solid state products through diffusionless mechanisms. The effectiveness of atomic mixtures in solid state synthesis was tested on three classes of materials, varying in complexity. A procedure was invented for obtaining the highly water soluble salt, titanyl nitrate, TiO(NO{sub 3}){sub 2}, in crystalline form, which allowed the production of titanate materials by freeze drying. The freeze drying procedures yielded phase pure, nanocrystalline BaTiO{sub 3} and the complete SYNROC-B phase assemblage after ten minute heat treatments at 600 C and 1,100 C, respectively. Two novel methods were developed for the solution based synthesis of Ba{sub 2}YCu{sub 3}O{sub 7{minus}x} and Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}. Thin and thick films of Ba{sub 2}YCu{sub 3}O{sub 7{minus}x} and Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10} were …

Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O{sub 3}{sup {minus}}. A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO{sub 2}, has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO{sub 2} molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO{sub 2} reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C{sub 2}{sup {minus}} {minus} C{sub 11}{sup {minus}}), and van der Waals clusters (X{sup {minus}}(CO{sub 2}){sub n}, X = I, Br, Cl; n {le} 13 and I{sup {minus}} (N{sub 2}O){sub n=1--11}). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are …

Nucleon structure functions measured in neutrino-iron and antineutrino-iron charged-current interactions are presented. The data were taken in two high-energy high-statistics runs by the LAB-E detector at the Fermilab Tevatron. Structure functions are extracted from a sample of 950,000 neutrino and 170,000 antineutrino events with neutrino energies from 30 to 360 GeV. The structure functions F{sub 2} and xF{sub 3} are compared with the predictions of perturbative Quantum Chromodynamics (PQCD). The combined non-singlet and singlet evolution in the context of PQCD gives value of {Lambda}NLO,(4)/MS = 337 {+-} 28 (exp.) MeV, which corresponds to {alpha}{sub S}(M{sub Z}{sup 2}) = 0.119 {+-} 0.002 (exp.) {+-} 0.004 (theory), and with a gluon distribution given by xG(x,Q{sub 0}{sup 2} = 5GeV{sup 2}) = (2.22 {+-} 0.34) {times} (1 {minus} x){sup 4.65{+-}0.68}.

Focus of the study is C acceptor doping of GaAs, since C diffusion coefficient is at least one order of magnitude lower than that of other common p-type dopants in GaAs. C ion implantation results in a concentration of free holes in the valence band < 10% of that of the implanted C atoms for doses > 10{sup 14}/cm{sup 2}. Rutherford backscattering, electrical measurements, Raman spectroscopy, and Fourier transform infrared spectroscopy were amonth the techniques used. Ga co-implantation increased the C activation in two steps: first, the additional radiation damage creates vacant As sites that the implanted C can occupy, and second, it maintains the stoichiometry of the implanted layer, reducing the number of compensating native defects. In InP, the behavior of C was different from that in GaAs. C acts as n-type dopant in the In site; however, its incorporation by implantation was difficult to control; experiments using P co-implants were inconsistent. The lattice position of inactive C in GaAs in implanted and epitaxial layers is discussed; evidence for formation of C precipitates in GaAs and InP was found. Correlation of the results with literature on C doping in III-V semiconductors led to a phenomenological description of C in …

It is not an exaggeration to say that much of chemistry involves ions in solution. A technique which allows for ions to be transferred from solution into the gas phase and subsequently analyzed by mass spectrometric detection would be of importance. If structural information, representative of the solution chemistry could be gained from these gas-phase ions, this would also be important. Electrospray mass spectrometry (ES-MS) is such a technique.

The major goal of this work is to provide a means to characterize the final structure of a metal that has solidified from a melt. The thermally controlled solidification of a binary alloy, nucleated at isolated sites, is described by the evolution of a probability distribution function (PDF). The relevant equation required for propagating the PDF is developed with variables for grain size and distance to nearest neighbor. The phenomena of nucleation, growth, and impingement of the grains are discussed, and used as the basis for developing rate equations that evolve the PDF. The complementary equations describing global heat and solute transfer are discussed, and coupled with the microstructure evolution equations for grain growth and PDF evolution. The full set of equations is solved numerically and results are compared with experimental data for the plutonium 1 weight percent gallium system. The three principal results of this work are: (1) The formulation of transient evolution equations for the PDF description of nucleation, growth, and impingement of a distribution of grain sizes and locations; (2) Solution of the equations to give a correlation for final average grain size as a function of material parameters, nucleation site density, and cooling rate; and (3) …

The literature does not clearly describe the potential moral and ethical conflicts that can exist between technology sponsors and the technical communicators whose job it is to present potentially risky technology to the non-technical people most likely to be imperiled by such risk. Equally important, the literature does not address the issue of uncertainty -- not the uncertainty likely to be experienced by the community at risk, but the unreliable processes and methodologies used by technology sponsors to define, quantify, and develop strategies to mitigate technological risks. In this paper, the author goes beyond a description of risk communication, the nature of the generally predictable interaction between technology advocates and non-technically trained individuals, and current trends in the field. Although that kind of information is critical to the success of any risk communication activity, and he has included it when necessary to provide background and perspective, without knowing how and why risk assessment is done, it has limited practical applicability outside the sterile, value-free vacuum in which it is usually framed. Technical communicators, particularly those responsible for communicating potential technological risk, must also understand the social, political, economic, statistical, and ethical issues they will invariably encounter.

This research addresses the application of a large eddy simulation (LES) to Arbitrary Lagrangian Eulerian (ALE) simulations of Rayleigh-Taylor instability. First, ALE simulations of simplified Rayleigh-Taylor instability are studied. The advantages of ALE over Eulerian simulations are shown. Next, the behavior of the LES is examined in a more complicated ALE simulation of Rayleigh-Taylor instability. The effects of eddy viscosity and stochastic backscatter are examined. The LES is also coupled with ALE to increase grid resolution in areas where it is needed. Finally, the methods studied above are applied to two sets of experimental simulations. In these simulations, ALE allows the mesh to follow expanding experimental targets, while LES can be used to mimic the effect of unresolved instability modes.

A chemical synthesis route is discussed which results in a low- temperature precursor to Y-Ba-Cu-O ceramics; it is based on use of molten Ba(OH){sub 2}{center_dot}8H{sub 2}O flux. Two different chemical systems have been examined; the first one, based on nitrate salts, has been demonstrated to be a viable precursor material for tape casting and extrusion; the second, made from acetate salts, has been used for powder synthesis and extrusion. Rheology of pastes shows that their flow may be fit to either Bingham Plastic or Hershel- Bulkley models. Yield stress is controlled in both pastes by volume fraction solids. Viscosity also follows solids loading in the paste. Shear thinning is controlled by colloidal nature of precursor. The paste has colloidal microstructure. Comparison of concentric cylinder rheometry and piston extrusion rheometry shows order of magnitude differences in yield stress, resulting from the test method and paste dilation.

Smooth particle methods are relatively new methods for simulating solid and fluid flows through they have a 20-year history of solving complex hydrodynamic problems in astrophysics, such as colliding planets and stars, for which correct answers are unknown. The results presented in this thesis evaluate the adaptability or fitness of the method for typical hydrocode production problems. For finite hydrodynamic systems, boundary conditions are important. A reflective boundary condition with image particles is a good way to prevent a density anomaly at the boundary and to keep the fluxes continuous there. Boundary values of temperature and velocity can be separately controlled. The gradient algorithm, based on differentiating the smooth particle expression for (u{rho}) and (T{rho}), does not show numerical instabilities for the stress tensor and heat flux vector quantities which require second derivatives in space when Fourier`s heat-flow law and Newton`s viscous force law are used. Smooth particle methods show an interesting parallel linking to them to molecular dynamics. For the inviscid Euler equation, with an isentropic ideal gas equation of state, the smooth particle algorithm generates trajectories isomorphic to those generated by molecular dynamics. The shear moduli were evaluated based on molecular dynamics calculations for the three weighting functions, …

Photoemitted electron waves are used as coherent source waves for angstrom-scale holographic imaging of local atomic geometry at surfaces. Electron angular distribution patterns are collected above a sample surface and serve as a record of the interference between source wave and waves scattered from surrounding ion cores. Using a mathematical imaging integral transformation, the three-dimensional structural information is obtained directly from these collected patterns. Patterns measured with different electron kinetic energies are phase-summed for image improvement. Pt (111) surface is used as a model system. A pattern 9.6{angstrom}{sup {minus}1} (351 eV) is used to generate a full 3-D image of atom locations around an emitter with nearest neighbors within 0.l{angstrom} of the expected bulk positions. Atoms several layers beyond the nearest neighbors are also apparent. Twin-image reduction and artifact suppression is obtained by phase-summing eight patterns measured from 8.8 to 10.2{angstrom}{sup {minus}1} (295 to 396 eV). 32 were measured in 0.2{angstrom}{sup {minus}1} steps from 6.0 to 12.2{angstrom}{sup {minus}1} (137 to 567 eV) are presented here. Simple models of two-slit interference are compared with electron scattering to illuminate understanding of holographic recording of the structural information. This also shows why it sometimes fails due to destructive interferences. Simple theoretical models of …

The continuous recrystallization (CRX) appears to be fundamental in Al-Sc because it occurs irrespective of solute composition. It appears to be due to a combination of subgrain coalescence at low strains and incorporation of additional dislocations generated during grain boundary sliding at higher strains when the misorientation has increased sufficiently. Alloying additives such as Mg, Li are more important with respect to deformation after CRX is completed. Mg, and to a lesser extent Li, affect the max m-values (strain-rate sensitivities) in Al-Sc by changing the melting points (mp). Max m- values correlate inversely with mp so that the alloy with the greatest Mg had the highest m-values and lowest mp; the stress is raised at which power-law creep and breakdown occurs. The power-law breakdonw at much lower stresses in Al-0.5Sc and Al-1.2Li-0.5Sc causes the m-value to decrease more rapidly with strain rate. Al alloys for commercial superplastic applications should contain elements that raise the power-law strength so that the m-values are maximized while preserving the post-formed mechanical properties. Refs, figs, tabs.

In this study, the author examined the effect of grazing on phosphorus cycling in stream periphyton and leaf detritus communities using the snail Elimia clavaeformis. Phosphorus cycling fluxes and turnover rates were measured in a laboratory and in a natural stream, respectively, using radioactive tracer techniques.

Many granular materials, including sedimentary rocks and soils, contain clay particles in the pores, grain contacts, or matrix. The amount and location of the clays and fluids can influence the mechanical and hydraulic properties of the granular material. This research investigated the mechanical effects of clay at grain-to-grain contacts in the presence of different fluids. Laboratory seismic wave propagation tests were conducted at ultrasonic frequencies using spherical glass beads coated with Montmorillonite clay (SWy-1) onto which different fluids were adsorbed. For all bead samples, seismic velocity increased and attenuation decreased as the contact stiffnesses increased with increasing stress demonstrating that grain contacts control seismic transmission in poorly consolidated and unconsolidated granular material. Coating the beads with clay added stiffness and introduced viscosity to the mechanical contact properties that increased the velocity and attenuation of the propagating seismic wave. Clay-fluid interactions were studied by allowing the clay coating to absorb water, ethyl alcohol, and hexadecane. Increasing water amounts initially increased seismic attenuation due to clay swelling at the contacts. Attenuation decreased for higher water amounts where the clay exceeded the plastic limit and was forced from the contact areas into the surrounding open pore space during sample consolidation. This work investigates …

This dissertation describes a numerical technique, Matrix-Free Newton Krylov, for solving a simplified Vlasov-Fokker-Planck equation. This method is both deterministic and fully implicit, and may not have been a viable option before current developments in numerical methods. Results are presented that indicate the efficiency of the Matrix-Free Newton Krylov method for these fully-coupled, nonlinear integro-differential equations. The use and requirement for advanced differencing is also shown. To this end, implementations of Chang-Cooper differencing and flux limited Quadratic Upstream Interpolation for Convective Kinematics (QUICK) are presented. Results are given for a fully kinetic ion-electron problem with a self consistent electric field calculated from the ion and electron distribution functions. This numerical method, including advanced differencing, provides accurate solutions, which quickly converge on workstation class machines. It is demonstrated that efficient steady-state solutions can be achieved to the non-linear integro-differential equation, obtaining quadratic convergence, without incurring the large memory requirements of an integral operator. Model problems are presented which simulate plasma impinging on a plate with both high and low neutral particle recycling typical of a divertor in a Tokamak device. These model problems demonstrate the performance of the new solution method.

The reliability of microelectronic systems is often limited by electromigration failure in Al-based thin-film conducting lines which interconnect devices to form an integrated circuit. Under an applied electric field Al atoms migrate with the electron flow, causing a counterflow of vacancies that accumulate into voids, eventually leading to an open circuit failure. The work reported here is concerned with clarifying the microstructural mechanism of electromigration failure, and with developing a metallurgical method to improve the electromigration resistance of Al-based interconnects. Pure Al, Al-2Cu, and Al-2Cu-1Si lines with quasi-bamboo microstructures are explored as a function of heat treatment conditions and current density. The {open_quotes}weakest{close_quotes} microstructural unit that causes failure is identified by electron microscopy; with rare exceptions, failure occurs at the upstream end of the longest polygranular segment in a given line. This microstructural characteristic of electromigration failure is even observed in lines whose maximum segment lengths are less than a few microns. The time to failure appears to increase exponentially with decreasing longest polygranular segment length. A simple constitutive equation is reported to describe the failure kinetics as a function of the polygranular segment length that leads to failure. Given correct values of the kinetic constants included in the equation, …

Understanding transport properties of sedimentary rocks, including permeability, relative permeability, and electrical conductivity, is of great importance for petroleum engineering, waste isolation, environmental restoration, and other applications. These transport properties axe controlled to a great extent by the pore structure. How pore geometry, topology, and the physics and chemistry of mineral-fluid and fluid-fluid interactions affect the flow of fluids through consolidated/partially consolidated porous media are investigated analytically and experimentally. Hydraulic and electrical conductivity of sedimentary rocks are predicted from the microscopic geometry of the pore space. Cross-sectional areas and perimeters of individual pores are estimated from two-dimensional scanning electron microscope (SEM) photomicrographs of rock sections. Results, using Berea, Boise, Massilon, and Saint-Gilles sandstones show close agreement between the predicted and measured permeabilities. Good to fair agreement is found in the case of electrical conductivity. In particular, good agreement is found for a poorly cemented rock such as Saint-Gilles sandstone, whereas the agreement is not very good for well-cemented rocks. The possible reasons for this are investigated. The surface conductance contribution of clay minerals to the overall electrical conductivity is assessed. The effect of partial hydrocarbon saturation on overall rock conductivity, and on the Archie saturation exponent, is discussed. The region …

Stability of a cylindrical pore under the influence of surface energy is important for porous silicon (PS) processing in the integrated circuit industry. Once the zig-zag cylindrical pores of porous silicon or oxidized porous silicon (OPS) are unstable and breakup into rows of isolated spherical pores, oxidation of PS and densification/nitridation of OPS become difficult. Swing to difficulty transport of reactant gas (O{sub 2}, NH{sub 3}) or the trapped gas (for densification of OPS). A first order analysis of the stability of a cylindrical pore or cylinder is considered first. Growth of small sinusoidal perturbations by viscous flow or evaporation/condensation result in dependence of perturbation growth rate on perturbation wavelength. Rapid thermal oxidation (RTO) of porous silicon is proposed as an alternative for the tedious two-step 300 and 800C oxidation process. Transmission electron microscopy, energy dispersive spectroscopy ESCA are used for quality control. Also, rapid thermal nitridation of oxidized porous silicon in ammonia is proposed to enhance OPS resistance to HF solution. Pores breakup of OPS results in a trapped gas problem during densification. Wet helium is proposed as OPS densification ambient gas to shorten densification time. Finally, PS is proposed to be an extrinsic gettering center in silicon wafers. …

Two devices, an occupational carbon monoxide (CO) dosimeter (LOCD), and an indoor air quality (IAQ) passive sampler were developed for use in population-based CO exposure assessment studies. CO exposure is a serious public health problem in the U.S., causing both morbidity and mortality (lifetime mortality risk approximately 10{sup -4}). Sparse data from population-based CO exposure assessments indicate that approximately 10% of the U.S. population is exposed to CO above the national ambient air quality standard. No CO exposure measurement technology is presently available for affordable population-based CO exposure assessment studies. The LOCD and IAQ Passive Sampler were tested in the laboratory and field. The palladium-molybdenum based CO sensor was designed into a compact diffusion tube sampler that can be worn. Time-weighted-average (TWA) CO exposure of the device is quantified by a simple spectrophotometric measurement. The LOCD and IAQ Passive Sampler were tested over an exposure range of 40 to 700 ppm-hours and 200 to 4200 ppm-hours, respectively. Both devices were capable of measuring precisely (relative standard deviation <20%), with low bias (<10%). The LOCD was screened for interferences by temperature, humidity, and organic and inorganic gases. Temperature effects were small in the range of 10{degrees}C to 30{degrees}C. Humidity effects were …

We investigated the surface bonding of various adsorbates (0, S, C{sub 2}H{sub 3} and NO) along with the resulting relaxation of the Pt(111) surface using low energy electron diffiraction (LEED). LEED experiments have been performed on these ordered overlayers along with theoretical structural analysis using automated tensor LEED (ATLEED). The resulting surface structures of these ordered overlayers exhibit similar adsorbate-induced relaxations. In all cases the adsorbate occupies the fcc hollow site and induces an approximately 0.1 A buckling of the metal surface. The three metal atoms directly bonded to the adsorbate are ``pulled`` out of the surface and the metal atom that is not bound to the adsorbate is `pushed`` inward. In order to understand the reliability of such details, we have carried out a comprehensive study of various non-structural parameters used in a LEED computation. We also studied the adsorption of water on the Pt(lll) surface. We ordered an ultra thin ice film on this surface. The film`s surface is found to be the (0001) face of hexagonal ice. This surface is apparently terminated by a full-bilayer, in which the uppermost water molecules have large vibrational amplitudes even at temperatures as low as 90 K. We examined two other …